bis(3-iminobutan-1-ol);methane

C10H26N2O2 — CID 167561592

IUPACbis(3-iminobutan-1-ol);methane
SMILESC.C.[H]/N=C(\C)CCO.[H]/N=C(\C)CCO
InChIInChI=1S/2C4H9NO.2CH4/c2*1-4(5)2-3-6;;/h2*5-6H,2-3H2,1H3;2*1H4/b2*5-4+;;
InChIKeyDSOBELOQPYPHQW-IETIOSNCSA-N
MW206.33 g/mol
LogP2.09
Rot. Bonds4

About bis(3-iminobutan-1-ol);methane

bis(3-iminobutan-1-ol);methane (PubChem CID 167561592) has the molecular formula C10H26N2O2 and a molecular weight of 206.33 g/mol. Its IUPAC name is bis(3-iminobutan-1-ol);methane.

Molecular Properties

Compound Namebis(3-iminobutan-1-ol);methane
PubChem CID167561592
Molecular FormulaC10H26N2O2
Molecular Weight206.33 g/mol
Exact Mass206.20
IUPAC Namebis(3-iminobutan-1-ol);methane
SMILESC.C.[H]/N=C(\C)CCO.[H]/N=C(\C)CCO
InChIInChI=1S/2C4H9NO.2CH4/c2*1-4(5)2-3-6;;/h2*5-6H,2-3H2,1H3;2*1H4/b2*5-4+;;
InChIKeyDSOBELOQPYPHQW-IETIOSNCSA-N
XLogP2.09
TPSA88.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-iminobutan-1-ol);methane?
The IUPAC name of bis(3-iminobutan-1-ol);methane (CID 167561592) is bis(3-iminobutan-1-ol);methane.
What is the SMILES notation for bis(3-iminobutan-1-ol);methane?
The canonical SMILES for bis(3-iminobutan-1-ol);methane is C.C.[H]/N=C(\C)CCO.[H]/N=C(\C)CCO.
What is the InChIKey of bis(3-iminobutan-1-ol);methane?
The InChIKey is DSOBELOQPYPHQW-IETIOSNCSA-N. The full InChI is InChI=1S/2C4H9NO.2CH4/c2*1-4(5)2-3-6;;/h2*5-6H,2-3H2,1H3;2*1H4/b2*5-4+;;.
What are the key properties of bis(3-iminobutan-1-ol);methane?
bis(3-iminobutan-1-ol);methane has a molecular weight of 206.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-iminobutan-1-ol);methane is sourced from PubChem (CID 167561592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).